N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-(1-methylpiperazin-1-ium-1-yl)but-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]-3-cyano-quinolin-6-yl]-4-(1-methylpiperazin-1-ium-1-yl)but-2-ynamide Openeye Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(1-methylpiperazin-1-ium-1-yl)but-2-ynamide CAS Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolinyl]-4-(1-methyl-1-piperazin-1-iumyl)-2-butynamide IUPAC Name: N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-(1-methylpiperazin-1-ium-1-yl)but-2-ynamide Traditional Name: N-[4-(3-bromoanilino)-3-cyano-6-quinolyl]-4-(1-methylpiperazin-1-ium-1-yl)but-2-ynamide Formula: C25H24BrN6O+ MolecularWeight: 504.40166

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

Isomeric SMILES

C[N+]1(CCNCC1)CC#CC(=O)NC2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H23BrN6O/c1-32(12-9-28-10-13-32)11-3-6-24(33)30-21-7-8-23-22(15-21)25(18(16-27)17-29-23)31-20-5-2-4-19(26)14-20/h2,4-5,7-8,14-15,17,28H,9-13H2,1H3,(H-,29,30,31,33)/p+1